CID 3772977

2,4-dinitrophenylhydrazine

Structural Information

Molecular Formula
C6H6N4O4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN
InChI
InChI=1S/C6H6N4O4/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14/h1-3,8H,7H2
InChIKey
HORQAOAYAYGIBM-UHFFFAOYSA-N
Compound name
(2,4-dinitrophenyl)hydrazine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

792
References

12186
Patents

198.03891 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.04619 134.1
[M+Na]+ 221.02813 139.8
[M-H]- 197.03163 137.6
[M+NH4]+ 216.07273 150.1
[M+K]+ 237.00207 130.5
[M+H-H2O]+ 181.03617 136.5
[M+HCOO]- 243.03711 162.1
[M+CH3COO]- 257.05276 177.1
[M+Na-2H]- 219.01358 144.0
[M]+ 198.03836 128.5
[M]- 198.03946 128.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe